1-amino-2-ethyl-3-(thiolan-3-yl)guanidine

C7H16N4S — CID 103065586

IUPAC1-amino-2-ethyl-3-(thiolan-3-yl)guanidine
SMILESCC/N=C(\NN)NC1CCSC1
InChIInChI=1S/C7H16N4S/c1-2-9-7(11-8)10-6-3-4-12-5-6/h6H,2-5,8H2,1H3,(H2,9,10,11)
InChIKeyASTLLSXLOGTTFL-UHFFFAOYSA-N
MW188.30 g/mol
LogP-0.08
Rot. Bonds2

About 1-amino-2-ethyl-3-(thiolan-3-yl)guanidine

1-amino-2-ethyl-3-(thiolan-3-yl)guanidine (PubChem CID 103065586) has the molecular formula C7H16N4S and a molecular weight of 188.30 g/mol. Its IUPAC name is 1-amino-2-ethyl-3-(thiolan-3-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-ethyl-3-(thiolan-3-yl)guanidine
PubChem CID103065586
Molecular FormulaC7H16N4S
Molecular Weight188.30 g/mol
Exact Mass188.11
IUPAC Name1-amino-2-ethyl-3-(thiolan-3-yl)guanidine
SMILESCC/N=C(\NN)NC1CCSC1
InChIInChI=1S/C7H16N4S/c1-2-9-7(11-8)10-6-3-4-12-5-6/h6H,2-5,8H2,1H3,(H2,9,10,11)
InChIKeyASTLLSXLOGTTFL-UHFFFAOYSA-N
XLogP-0.08
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethyl-3-(thiolan-3-yl)guanidine?
The IUPAC name of 1-amino-2-ethyl-3-(thiolan-3-yl)guanidine (CID 103065586) is 1-amino-2-ethyl-3-(thiolan-3-yl)guanidine.
What is the SMILES notation for 1-amino-2-ethyl-3-(thiolan-3-yl)guanidine?
The canonical SMILES for 1-amino-2-ethyl-3-(thiolan-3-yl)guanidine is CC/N=C(\NN)NC1CCSC1.
What is the InChIKey of 1-amino-2-ethyl-3-(thiolan-3-yl)guanidine?
The InChIKey is ASTLLSXLOGTTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4S/c1-2-9-7(11-8)10-6-3-4-12-5-6/h6H,2-5,8H2,1H3,(H2,9,10,11).
What are the key properties of 1-amino-2-ethyl-3-(thiolan-3-yl)guanidine?
1-amino-2-ethyl-3-(thiolan-3-yl)guanidine has a molecular weight of 188.30 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethyl-3-(thiolan-3-yl)guanidine is sourced from PubChem (CID 103065586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).